1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea

C15H13BrN4O — CID 165003152

IUPAC1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
SMILESC=C1Nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2N1
InChIInChI=1S/C15H13BrN4O/c1-9-17-13-7-6-12(8-14(13)18-9)20-15(21)19-11-4-2-10(16)3-5-11/h2-8,17-18H,1H2,(H2,19,20,21)
InChIKeyXBHSCWARLCYGNG-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.40
Rot. Bonds2

About 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea

1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 165003152) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID165003152
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
SMILESC=C1Nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2N1
InChIInChI=1S/C15H13BrN4O/c1-9-17-13-7-6-12(8-14(13)18-9)20-15(21)19-11-4-2-10(16)3-5-11/h2-8,17-18H,1H2,(H2,19,20,21)
InChIKeyXBHSCWARLCYGNG-UHFFFAOYSA-N
XLogP4.40
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydroxyphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
CID 165014857
1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 165053769
1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
CID 164957826
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 164953050
N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167540628
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
3-[(4-bromophenyl)carbamoylamino]benzenesulfonic acid
CID 108869199

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea (CID 165003152) is 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea is C=C1Nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2N1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is XBHSCWARLCYGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-9-17-13-7-6-12(8-14(13)18-9)20-15(21)19-11-4-2-10(16)3-5-11/h2-8,17-18H,1H2,(H2,19,20,21).
What are the key properties of 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea?
1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 345.20 g/mol, XLogP of 4.40, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 165003152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).